N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

C69H50N4 — CID 163878672

IUPACN-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
SMILESCC1C=C(n2c3ccccc3c3cc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)ccc32)C=CC1
InChIInChI=1S/C69H50N4/c1-47-16-13-23-55(44-47)73-67-29-12-10-27-61(67)63-46-57(41-43-69(63)73)71(65-31-15-20-51-18-6-8-25-59(51)65)54-38-34-49(35-39-54)48-32-36-53(37-33-48)70(64-30-14-19-50-17-5-7-24-58(50)64)56-40-42-68-62(45-56)60-26-9-11-28-66(60)72(68)52-21-3-2-4-22-52/h2-15,17-47H,16H2,1H3
InChIKeyPREGJOJFYVYTMY-UHFFFAOYSA-N
MW935.19 g/mol
LogP19.24
Rot. Bonds9

About N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (PubChem CID 163878672) has the molecular formula C69H50N4 and a molecular weight of 935.19 g/mol. Its IUPAC name is N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
PubChem CID163878672
Molecular FormulaC69H50N4
Molecular Weight935.19 g/mol
Exact Mass934.40
IUPAC NameN-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
SMILESCC1C=C(n2c3ccccc3c3cc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)ccc32)C=CC1
InChIInChI=1S/C69H50N4/c1-47-16-13-23-55(44-47)73-67-29-12-10-27-61(67)63-46-57(41-43-69(63)73)71(65-31-15-20-51-18-6-8-25-59(51)65)54-38-34-49(35-39-54)48-32-36-53(37-33-48)70(64-30-14-19-50-17-5-7-24-58(50)64)56-40-42-68-62(45-56)60-26-9-11-28-66(60)72(68)52-21-3-2-4-22-52/h2-15,17-47H,16H2,1H3
InChIKeyPREGJOJFYVYTMY-UHFFFAOYSA-N
XLogP19.24
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.19
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine
CID 163478963
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361
N-naphthalen-1-yl-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720491
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol
CID 147446176

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (CID 163878672) is N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is CC1C=C(n2c3ccccc3c3cc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)ccc32)C=CC1.
What is the InChIKey of N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
The InChIKey is PREGJOJFYVYTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N4/c1-47-16-13-23-55(44-47)73-67-29-12-10-27-61(67)63-46-57(41-43-69(63)73)71(65-31-15-20-51-18-6-8-25-59(51)65)54-38-34-49(35-39-54)48-32-36-53(37-33-48)70(64-30-14-19-50-17-5-7-24-58(50)64)56-40-42-68-62(45-56)60-26-9-11-28-66(60)72(68)52-21-3-2-4-22-52/h2-15,17-47H,16H2,1H3.
What are the key properties of N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine has a molecular weight of 935.19 g/mol, XLogP of 19.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 163878672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).